SCHEMBL7145503

SCHEMBL7145503

O[C@@H]1[C@@H](OCc2ccccc2)[C@@H](O)OC[C@@H]1O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.45
BCHE P06276 6/20 0.45
PDPK1 O15530 2/20 0.43
MTOR P42345 1/20 0.43
TACR1 P25103 2/20 0.40
SLC5A2 P31639 2/20 0.39
SLC5A1 P13866 1/20 0.39
FUCA1 P04066 2/20 0.39
PDE4D Q08499 1/20 0.38
ACHE P22303 2/20 0.38
IDO1 P14902 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6244593 1.00 SLC6A2 (0.45) SLC6A2BCHEPDPK1MTORTACR1
SCHEMBL8600114 1.00 SLC6A2 (0.45) SLC6A2BCHEPDPK1MTORTACR1
SCHEMBL19430369 0.86 SLC6A2 (0.50) SLC6A2BCHEPDPK1MTORPDE4D
SCHEMBL22239278 0.86 SLC6A2 (0.50) SLC6A2BCHEPDPK1MTORPDE4D
SCHEMBL3141408 0.86 TACR1 (0.49) SLC6A2BCHEPDPK1MTORTACR1
SCHEMBL23867773 0.86 SLC6A2 (0.50) SLC6A2BCHEPDPK1MTORPDE4D
SCHEMBL22030353 0.81 SLC6A2 (0.48) SLC6A2BCHEPDPK1MTORPDE4D
SCHEMBL22031145 0.81 SLC6A2 (0.48) SLC6A2BCHEPDPK1MTORPDE4D
SCHEMBL5804981 0.81 SLC6A2 (0.48) SLC6A2BCHEPDPK1MTORPDE4D
SCHEMBL7565013 0.81 SLC6A2 (0.48) SLC6A2BCHEPDPK1MTORPDE4D

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6605713-B1 Contacting D-nucleic acids with a racemic mixture of the target molecule and allow for binding; producing L-nucleic acids; in vitro selection of DNA/RNA with high binding affinity and stability FURSTE JENS PETER (DE) 2003-08-12 US disclosed
EP-0934331-B1 MIRROR-SYMMETRICAL SELECTION AND EVOLUTION OF NUCLEIC ACIDS FUERSTE JENS PETER (DE) 2002-11-27 EP disclosed
EP-0434960-B1 Chiral 1,5-diiodo-2-methoxy or benzyloxy intermediates PHARMACIA SPA (IT) 1996-09-18 EP disclosed